AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
Sebastiaan P. HuberSpyros ZoupanosMartin UhrinLeopold TalirzLeonid KahleRico HäuselmannDominik GreschTiziano MüllerAliaksandr V. YakutovichCasper W. AndersenFrancisco F. RamirezCarl S. AdorfFernando GargiuloSnehal KumbharElsa PassaroConrad JohnstonAndrius MerkysAndrea CepellottiNicolas MounetNicola MarzariBoris KozinskyGiovanni PizziPublished in: CoRR (2020)